CID 9678710

2-cl-n(2((2(1-(3(1h-tetraazol-1-yl)ph)ethylidene)hydrazino)carbonyl)ph)benzamide

Structural Information

Molecular Formula
C23H18ClN7O2
SMILES
C/C(=N\NC(=O)C1=CC=CC=C1NC(=O)C2=CC=CC=C2Cl)/C3=CC(=CC=C3)N4C=NN=N4
InChI
InChI=1S/C23H18ClN7O2/c1-15(16-7-6-8-17(13-16)31-14-25-29-30-31)27-28-23(33)19-10-3-5-12-21(19)26-22(32)18-9-2-4-11-20(18)24/h2-14H,1H3,(H,26,32)(H,28,33)/b27-15+
InChIKey
DMIBQEULMHLRTO-JFLMPSFJSA-N
Compound name
2-[(2-chlorobenzoyl)amino]-N-[(E)-1-[3-(tetrazol-1-yl)phenyl]ethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.12106 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.12834 205.4
[M+Na]+ 482.11028 211.1
[M-H]- 458.11378 214.7
[M+NH4]+ 477.15488 209.6
[M+K]+ 498.08422 204.1
[M+H-H2O]+ 442.11832 191.9
[M+HCOO]- 504.11926 222.4
[M+CH3COO]- 518.13491 212.9
[M+Na-2H]- 480.09573 208.2
[M]+ 459.12051 207.3
[M]- 459.12161 207.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.